4-[(5-chloranylpyridin-2-yl)carbamoyl]-3-[[4-(3-oxidanylidenemorpholin-4-yl)cyclohexyl]carbonylamino]benzoic acid

Systemtic Name: 4-[(5-chloranylpyridin-2-yl)carbamoyl]-3-[[4-(3-oxidanylidenemorpholin-4-yl)cyclohexyl]carbonylamino]benzoic acid Openeye Name: 4-[(5-chloro-2-pyridyl)carbamoyl]-3-[[4-(3-oxomorpholin-4-yl)cyclohexanecarbonyl]amino]benzoic acid CAS Name: 4-[[(5-chloro-2-pyridinyl)amino]-oxomethyl]-3-[[oxo-[4-(3-oxo-4-morpholinyl)cyclohexyl]methyl]amino]benzoic acid IUPAC Name: 4-[(5-chloropyridin-2-yl)carbamoyl]-3-[[4-(3-oxomorpholin-4-yl)cyclohexanecarbonyl]amino]benzoic acid Traditional Name: 4-[(5-chloro-2-pyridyl)carbamoyl]-3-[[4-(3-ketomorpholino)cyclohexanecarbonyl]amino]benzoic acid Formula: C24H25ClN4O6 MolecularWeight: 500.9315

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)NC3=NC=C(C=C3)Cl)N4CCOCC4=O

Isomeric SMILES

C1CC(CCC1C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)NC3=NC=C(C=C3)Cl)N4CCOCC4=O

InChI

InChI=1S/C24H25ClN4O6/c25-16-4-8-20(26-12-16)28-23(32)18-7-3-15(24(33)34)11-19(18)27-22(31)14-1-5-17(6-2-14)29-9-10-35-13-21(29)30/h3-4,7-8,11-12,14,17H,1-2,5-6,9-10,13H2,(H,27,31)(H,33,34)(H,26,28,32)